| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DR4JQR9E0V |
| EPA CompTox | DTXSID00858801 |
Structure
| InChI Key | CRORGGSWAKIXSA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O3 |
| Molecular Weight | 160.11 |
| AlogP | 0.96 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19329-89-6 |
| NORMAN SUSDAT | |
| FDA SRS | DR4JQR9E0V |
| PubChem | 86851 |
CONTENTS
